SCHEMBL7445080

SCHEMBL7445080

CCC(C)C(CO)[C](Cc1ccccc1)c1ccccc1C1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.38
CCR1 P32246 1/20 0.36
TRPA1 O75762 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
ANPEP P15144 1/20 0.33
ALDH1A1 P00352 3/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
GSK3B P49841 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7442500 0.83 TRPA1 (0.34) CCR1TRPA1MEN1KMT2AKDM4E
SCHEMBL7427062 0.81 SIGMAR1 (0.36) MEN1KMT2APTGDR2ALDH1A1POLB
SCHEMBL9131964 0.78 ALDH1A1 (0.37) KDM4EPTGDR2ALDH1A1POLBCCNE1
SCHEMBL9130879 0.76 ALDH1A1 (0.39) PTGDR2ALDH1A1POLBMAPTTSHR
SCHEMBL7444364 0.70 MAPT (0.40) MEN1KMT2APTGDR2ALDH1A1POLB
SCHEMBL9132198 0.69 TRPA1 (0.44) ACETRPA1KDM4EANPEPPOLB
SCHEMBL9130910 0.69 HCRTR1 (0.35) PTGDR2ALDH1A1
SCHEMBL7437251 0.67 MEN1 (0.42) MEN1KMT2ACCNE1CDK2
SCHEMBL7437217 0.65 TACR1 (0.39)
SCHEMBL7441986 0.64 ALDH1A1 (0.40) MEN1KMT2APTGDR2ALDH1A1POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5491149-A VIRICIDES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-02-13 US disclosed